12-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene

C14H21N — CID 175984451

IUPAC12-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene
SMILESc1cnc2c(c1)CCCCCCCCC2
InChIInChI=1S/C14H21N/c1-2-4-6-9-13-10-8-12-15-14(13)11-7-5-3-1/h8,10,12H,1-7,9,11H2
InChIKeyRSZIVYXISCSSJX-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.91
Rot. Bonds

About 12-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene

12-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene (PubChem CID 175984451) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 12-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene.

Molecular Properties

Compound Name12-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene
PubChem CID175984451
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name12-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene
SMILESc1cnc2c(c1)CCCCCCCCC2
InChIInChI=1S/C14H21N/c1-2-4-6-9-13-10-8-12-15-14(13)11-7-5-3-1/h8,10,12H,1-7,9,11H2
InChIKeyRSZIVYXISCSSJX-UHFFFAOYSA-N
XLogP3.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 12-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene?
The IUPAC name of 12-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene (CID 175984451) is 12-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene.
What is the SMILES notation for 12-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene?
The canonical SMILES for 12-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene is c1cnc2c(c1)CCCCCCCCC2.
What is the InChIKey of 12-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene?
The InChIKey is RSZIVYXISCSSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-2-4-6-9-13-10-8-12-15-14(13)11-7-5-3-1/h8,10,12H,1-7,9,11H2.
What are the key properties of 12-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene?
12-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene has a molecular weight of 203.33 g/mol, XLogP of 3.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene is sourced from PubChem (CID 175984451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).